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In Vitro Anticancer Screening, Molecular Docking and Antimicrobial Studies of Triazole-Based Nickel(II) Metal Complexes.
Deodware, Sachin A; Barache, Umesh B; Dhale, Pratibha C; Gaikwad, Kundalkesha D; Shivamallu, Chandan; Ubale, Panchsheela A; Shati, Ali A; Alfaifi, Mohammad Y; Elbehairi, Serag Eldin I; Achar, Raghu Ram; Silina, Ekaterina; Stupin, Victor; Frau, Juan; Flores-Holguín, Norma; Gaikwad, Shashikant H; Kollur, Shiva Prasad; Glossman-Mitnik, Daniel.
Afiliación
  • Deodware SA; Arts, Science and Commerce College, Naldurg, Osmanabad 413 602, Maharashtra, India.
  • Barache UB; Chemistry Research Laboratory, Department of Chemistry, Shri Shivaji Mahavidyalaya, Solapur 413 411, Maharashtra, India.
  • Dhale PC; School of Chemical Sciences, Punyashlok Ahilyadevi Holkar Solapur University, Solapur 413 255, Maharashtra, India.
  • Gaikwad KD; Chemistry Research Laboratory, Department of Chemistry, Shri Shivaji Mahavidyalaya, Solapur 413 411, Maharashtra, India.
  • Shivamallu C; Chemistry Research Laboratory, Department of Chemistry, Shri Shivaji Mahavidyalaya, Solapur 413 411, Maharashtra, India.
  • Ubale PA; Department of Biotechnology and Bioinformatics, School of Life Sciences, JSS Academy of Higher Education and Research, Mysuru 570 015, Karnataka, India.
  • Shati AA; Department of Chemistry, N. K. Orchid College of Engineering and Technology, Solapur 413 002, Maharashtra, India.
  • Alfaifi MY; Biology Department, Faculty of Sciences, King Khalid University, Abha 61421, Saudi Arabia.
  • Elbehairi SEI; Biology Department, Faculty of Sciences, King Khalid University, Abha 61421, Saudi Arabia.
  • Achar RR; Biology Department, Faculty of Sciences, King Khalid University, Abha 61421, Saudi Arabia.
  • Silina E; Cell Culture Lab, Egyptian Organization for Biological Products and Vaccines (VACSERA Holding Company), 51 Wezaret El-Zeraa St., Agouza, Giza 12311, Egypt.
  • Stupin V; Division of Biochemistry, School of Life Sciences, JSS Academy of Higher Education and Research, Mysuru 570 015, Karnataka, India.
  • Frau J; Department of Hospital Surgery, N.I. Pirogov Russian National Research Medical University (RNRMU), 117997 Moscow, Russia.
  • Flores-Holguín N; Department of Hospital Surgery, N.I. Pirogov Russian National Research Medical University (RNRMU), 117997 Moscow, Russia.
  • Gaikwad SH; Departament de Química, Facultat de Ciènces, Universitat de les Illes Balears, E-07122 Palma de Malllorca, Spain.
  • Kollur SP; Laboratorio Virtual NANOCOSMOS, Departamento de Medio Ambiente y Energía, Centro de Investigación en Materiales Avanzados, Chihuahua 31136, Chih, Mexico.
  • Glossman-Mitnik D; Chemistry Research Laboratory, Department of Chemistry, Shri Shivaji Mahavidyalaya, Solapur 413 411, Maharashtra, India.
Molecules ; 27(19)2022 Oct 03.
Article en En | MEDLINE | ID: mdl-36235085
Herein we describe the synthesis of a series of nickel(II) complexes (C1-C3) with Schiff bases (HL1-HL3) derived from 4-amino-5-mercapto-3-methyl-1,2,4-triazole and ortho/meta/para-nitrobenzaldehyde having composition [Ni(L)2(H2O)2]. The obtained ligands and their complexes were characterized using physico-chemical techniques viz., elemental analysis, magnetic moment study, spectral (electronic, FT-IR, 1H-NMR) and thermal analysis. The elemental analysis and spectral analysis revealed that Schiff bases behave as monoanionic bidentate ligands towards the Ni(II) ion. Whereas, the magnetic moment study suggested the octahedral geometry of all the Ni(II) complexes. The thermal behavior of the complexes has been studied by thermogravimetric analysis and agrees well with the composition of complexes. Further, the biological activities such as antimicrobial and antifungal studies of the Schiff bases and Ni(II) complexes have been screened against bacterial species (Staphylococcus aureus and Pseudomonas aeruginosa) and fungal species (Aspergillus niger and Candida albicans) activity by MIC method, the results of which revealed that metal complexes exhibited significant antimicrobial activities than their respective ligands against the tested microbial species. Furthermore, the molecular docking technique was employed to investigate the active sites of the selected protein, which indeed helped us to screen the potential anticancer agents among the synthesized ligand and complexes. Further, these compounds have been screened for their in vitro anticancer activity using OVCAR-3 cell line. The results revealed that the complexes are more active than the ligands.
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Asunto principal: Neoplasias Ováricas / Complejos de Coordinación / Antiinfecciosos / Antineoplásicos Tipo de estudio: Diagnostic_studies / Screening_studies Límite: Female / Humans Idioma: En Revista: Molecules Asunto de la revista: BIOLOGIA Año: 2022 Tipo del documento: Article País de afiliación: India Pais de publicación: Suiza
Texto completo
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Asunto principal: Neoplasias Ováricas / Complejos de Coordinación / Antiinfecciosos / Antineoplásicos Tipo de estudio: Diagnostic_studies / Screening_studies Límite: Female / Humans Idioma: En Revista: Molecules Asunto de la revista: BIOLOGIA Año: 2022 Tipo del documento: Article País de afiliación: India Pais de publicación: Suiza